Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C7H4O3.4C6H10O7.2C2H3O2.2Al.8Na |
Molecular Weight | 1404.7366 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 16 / 16 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].CC([O-])=O.CC([O-])=O.[O-]C(=O)C1=CC=CC=C1[O-].[O-]C(=O)C2=CC=CC=C2[O-].OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O
InChI
InChIKey=HJAMYFDJZRENPI-WPGRGSHLSA-D
InChI=1S/2C7H6O3.4C6H11O7.2C2H4O2.2Al.8Na/c2*8-6-4-2-1-3-5(6)7(9)10;4*7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2(3)4;;;;;;;;;;/h2*1-4,8H,(H,9,10);4*2-5,7-9,11H,1H2,(H,12,13);2*1H3,(H,3,4);;;;;;;;;;/q;;4*-1;;;2*+3;8*+1/p-10/t;;4*2-,3-,4+,5-;;;;;;;;;;;;/m..1111............/s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Al |
Molecular Weight | 26.9815 |
Charge | 3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C2H3O2 |
Molecular Weight | 59.044 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C7H4O3 |
Molecular Weight | 136.1049 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H10O7 |
Molecular Weight | 194.1394 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:44:32 GMT 2023
by
admin
on
Sat Dec 16 10:44:32 GMT 2023
|
Record UNII |
N3HOV1W61U
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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N3HOV1W61U
Created by
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76971748
Created by
admin on Sat Dec 16 10:44:32 GMT 2023 , Edited by admin on Sat Dec 16 10:44:32 GMT 2023
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12214-50-5
Created by
admin on Sat Dec 16 10:44:32 GMT 2023 , Edited by admin on Sat Dec 16 10:44:32 GMT 2023
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Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |